General Information of the Compound
| Compound ID |
CP0335215
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| Compound Name |
4-(5-ethylsulfonyl-2-methoxyphenyl)-2- methyl-6-(1-methylpyrazol-4-yl)isoquinolin- 1-one
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| Structure |
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| Formula |
C23H23N3O4S
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| Molecular Weight |
437.521
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| Canonical SMILES |
CCS(=O)(=O)c1ccc(OC)c(c1)-c1cn(C)c(=O)c2ccc(cc12)-c1cnn(C)c1
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| InChI |
InChI=1S/C23H23N3O4S/c1-5-31(28,29)17-7-9-22(30-4)20(11-17)21-14-25(2)23(27)18-8-6-15(10-19(18)21)16-12-24-26(3)13-16/h6-14H,5H2,1-4H3
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| InChIKey |
VFQXMHYHBXHDCR-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound
Protein ID: PT01462, Bromodomain-containing protein 4
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000018 | HL-60 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 45 nM
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TI
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LO
TS
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